SCHEMBL29760144

SCHEMBL29760144

COc1cccc(-c2cn3ncc(C(N)=O)c3s2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.43
JAK1 P23458 4/20 0.41
JAK3 P52333 4/20 0.41
TGFBR2 P37173 1/20 0.40
NNMT P40261 1/20 0.39
JAK2 O60674 3/20 0.35
TYK2 P29597 3/20 0.35
PDE10A Q9Y233 1/20 0.35
SYK P43405 1/20 0.35
HASPIN Q8TF76 1/20 0.34
NTRK1 P04629 1/20 0.34
BTK Q06187 1/20 0.34
PARP1 P09874 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30809555 0.85 MAPT (0.43) TGFBR1
SCHEMBL30566591 0.77 KDM4E (0.43) TGFBR1JAK3TGFBR2JAK2PARP1
SCHEMBL30566572 0.75 MKNK1 (0.39) TGFBR1JAK1JAK3JAK2TYK2
SCHEMBL30566447 0.75 JAK2 (0.32) JAK1JAK3JAK2TYK2
SCHEMBL29759623 0.74 HDAC6 (0.41) TGFBR1JAK3JAK2TYK2BTK
SCHEMBL30809497 0.74 TGFBR1 (0.32) TGFBR1
SCHEMBL29760263 0.73 CDC7 (0.43) JAK1JAK3JAK2TYK2
SCHEMBL29759647 0.72 CYP2E1 (0.34) TGFBR1JAK1JAK3JAK2TYK2
SCHEMBL24578259 0.72 KDR (0.39) TGFBR1JAK1JAK3JAK2TYK2
SCHEMBL29759991 0.71 MKNK1 (0.46) JAK1JAK3JAK2TYK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 EP disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 WO disclosed